Information card for entry 7056935

Structure parameters

• Formula: C5 H25 B12 N3 O
• Calculated formula: C5 H25 B12 N3 O
• Title of publication: Amino functionalized [B12H12]2− salts as hypergolic fuels
• Authors of publication: Li, Hao; Zhang, Yanqiang; Liu, Long; Jiao, Nianming; Meng, Xianghai; Zhang, Suojiang
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 3568
• a: 8.0945 ± 0.0016 Å
• b: 7.3937 ± 0.0015 Å
• c: 27.724 ± 0.006 Å
• α: 90°
• β: 93.02 ± 0.03°
• γ: 90°
• Cell volume: 1656.9 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1939
• Residual factor for significantly intense reflections: 0.1826
• Weighted residual factors for significantly intense reflections: 0.3444
• Weighted residual factors for all reflections included in the refinement: 0.3543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No